SCHEMBL181247

SCHEMBL181247

Nc1ccc(OCCO)c(N)c1I

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 3/20 0.35
RECQL P46063 1/20 0.35
PRSS1 P07477 8/20 0.35
LOX P28300 1/20 0.35
AOC3 Q16853 1/20 0.35
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TUBB1 Q9H4B7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5268545 0.79 IDO1 (0.41) IDO1ALDH1A1RECQLPRSS1LOX
SCHEMBL7238647 0.78 IDO1 (0.35) IDO1ALDH1A1RECQLLOXAOC3
SCHEMBL10629740 0.76 ALDH1A1 (0.48) IDO1ALDH1A1RECQLLOXAOC3
SCHEMBL461005 0.73 CYP1A2 (0.44) IDO1ALDH1A1RECQLLOXAOC3
SCHEMBL11709637 0.72 IDO1 (0.41) IDO1ALDH1A1RECQLPRSS1LOX
SCHEMBL2939579 0.72 IDO1 (0.41) IDO1ALDH1A1RECQLLOXAOC3
SCHEMBL11768488 0.72 IDO1 (0.41) IDO1ALDH1A1RECQLPRSS1LOX
SCHEMBL23568201 0.71 ALDH1A1 (0.62) IDO1ALDH1A1RECQLPRSS1LOX
SCHEMBL10633040 0.70 ALDH1A1 (0.44) IDO1ALDH1A1RECQLKDM4E
SCHEMBL9792987 0.70 TUBB1 (0.38) PRSS1LOXAOC3TUBB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400946-A2 COMPOSITION CONTAINING A DYE AND 3-PHENYL-1-PROPANOL AND DYEING OF KERATIN FIBRES L'Oréal (FR) 2012-01-04 EP disclosed
EP-2401036-A2 COMPOSITION CONTAINING A NATURAL OR SYNTHETIC DYE AND AN ALIPHATIC MONOHYDROXYLATED ALCOHOL AND KERATIN FIBRE DYEING METHOD USING SAME L'Oréal (FR) 2012-01-04 EP disclosed
WO-2010139878-A2 DYEING COMPOSITION INCLUDING A SECONDARY PARAPHENYLENEDIAMINE OXIDATION BASE AND A SELECTED COUPLER L'OREAL (FR) 2010-12-09 WO disclosed
WO-2010133803-A1 DYEING COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A SPECIFIC SURFACTANT L'OREAL (FR) 2010-11-25 WO disclosed
WO-2010133805-A1 DYEING COMPOSITION CONTAINING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A PEARLING AGENT L'OREAL (FR) 2010-11-25 WO disclosed
WO-2010133804-A2 DYEING COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND AN AMINO ACID L'OREAL (FR) 2010-11-25 WO disclosed
WO-2010100231-A1 DEVICE FOR DISPENSING A COLOURING COMPOSITION FOR KERATIN FIBRES AND ASSOCIATED PROCESS L'OREAL (FR) 2010-09-10 WO disclosed
WO-2010097559-A2 COMPOSITION CONTAINING A DYE AND 3-PHENYL-1-PROPANOL AND DYEING OF KERATIN FIBRES L'OREAL (FR) 2010-09-02 WO disclosed
WO-2010097558-A2 COMPOSITION CONTAINING A NATURAL OR SYNTHETIC DYE AND AN ALIPHATIC MONOHYDROXYLATED ALCOHOL AND KERATIN FIBRE DYEING METHOD USING SAME L'OREAL (FR) 2010-09-02 WO disclosed
EP-2219590-A2 COMPOSITION FOR OXIDATION DYEING OF HUMAN KERATIN FIBRES AT A PH OF LESS THAN 8, COMPRISING A FATTY ALCOHOL, A FATTY ESTER AND A CATIONIC SURFACTANT, METHOD USING SAME AND DEVICE L'Oréal (FR) 2010-08-25 EP disclosed
EP-1877032-A2 INVERT EMULSION COMPRISING AN AQUEOUS SOLUTION OF HYDROGEN PEROXIDE AND AN INERT PHASE WITH WATER SOLUBILITY OF LESS THAN 1 % L'Oréal (FR) 2008-01-16 EP disclosed
WO-2007125238-A1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES L'ORÉAL (FR) 2007-11-08 WO disclosed
WO-2007122340-A1 CATIONIC DICHROMOPHORIC COMPOUND CONTAINING TWO UNITS OF HYDRAZONE TYPE AND COMPRISING A CATIONIC LINKER ARM, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, METHOD FOR THE USE THEREOF AND USES L'ORÉAL (FR) 2007-11-01 WO disclosed
WO-2007122341-A2 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC HYDRAZONE COMPOUNDS CONTAINING A 2-(BENZ)IMIDAZOLIUM UNIT, THEIR SYNTHESIS, DYEING COMPOSITIONS COMPRISING THEM, METHOD OF DYEING KERATIN FIBRES L'ORÉAL (FR) 2007-11-01 WO disclosed
EP-1836193-A1 UNSYMMETRICAL DIAZO COMPOUNDS, COMPOSITIONS COMPRISING SAME, DYEING METHOD AND DEVICE COMPRISING SAID COMPOSITIONS L'Oréal (FR) 2007-09-26 EP disclosed
WO-2006117469-A2 INVERT EMULSION COMPRISING AN AQUEOUS SOLUTION OF HYDROGEN PEROXIDE AND AN INERT PHASE WITH WATER SOLUBILITY OF LESS THAN 1 % L'ORÉAL (FR) 2006-11-09 WO disclosed
WO-2006114529-A1 DYEING COMPOSITION COMPRISING A DYE AND A PROPYLENE GLYCOL DERIVATIVE L'OREAL (FR) 2006-11-02 WO disclosed
WO-2006063866-A1 UNSYMMETRICAL DIAZO COMPOUNDS, COMPOSITIONS COMPRISING SAME, DYEING METHOD AND DEVICE COMPRISING SAID COMPOSITIONS L'ORÉAL (FR) 2006-06-22 WO disclosed
WO-2006063869-A2 SYMMETRICAL DIAZO COMPOUNDS WITH 3-PYRIDINIUM GROUPS AND CATIONIC LINKER ARM, COMPOSITIONS COMPRISING SAME, DYEING METHOD AND DEVICE L'OREAL (FR) 2006-06-22 WO disclosed
WO-2006030127-A1 COMPOSITION COMPRISING AT LEAST ONE SUBSTITUTED CARBOCYANINE DERIVATIVE, KERATIN FIBRE TREATMENT METHOD USING SAME, ASSOCIATED DEVICE AND USE THEREOF L'OREAL (FR) 2006-03-23 WO disclosed